4-[[methyl-[2-(2-oxidanylpropylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]benzene-1,2-diol

Systemtic Name: 4-[[methyl-[2-(2-oxidanylpropylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]benzene-1,2-diol Openeye Name: 4-[[[2-(2-hydroxypropylamino)-9-isopropyl-purin-6-yl]-methyl-amino]methyl]benzene-1,2-diol CAS Name: 4-[[[2-(2-hydroxypropylamino)-9-propan-2-yl-6-purinyl]-methylamino]methyl]benzene-1,2-diol IUPAC Name: 4-[[[2-(2-hydroxypropylamino)-9-propan-2-ylpurin-6-yl]-methylamino]methyl]benzene-1,2-diol Traditional Name: 4-[[[2-(2-hydroxypropylamino)-9-isopropyl-purin-6-yl]-methyl-amino]methyl]pyrocatechol Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2N(C)CC3=CC(=C(C=C3)O)O)NCC(C)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2N(C)CC3=CC(=C(C=C3)O)O)NCC(C)O

InChI

InChI=1S/C19H26N6O3/c1-11(2)25-10-21-16-17(22-19(23-18(16)25)20-8-12(3)26)24(4)9-13-5-6-14(27)15(28)7-13/h5-7,10-12,26-28H,8-9H2,1-4H3,(H,20,22,23)